SCHEMBL17033302

SCHEMBL17033302

CC1CCS(=O)(=O)c2cc(C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A4 P31645 9/20 0.33
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19695677 0.84 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL15491211 0.84 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL24075854 0.84 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18898952 0.82 DRD2 (0.35) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL17050360 0.82 CA2 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL20992182 0.82 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19478834 0.81 SLC6A4 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL17031845 0.81 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2351449 0.81 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL21756789 0.77 SLC6A4 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-9732104-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-06 US disclosed
US-9695205-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI CHRNA1 4756/4885CHRNG 4476/4885CHRNB1 4341/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI CHRNA1 3276/4885CHRNG 1677/4885CHRNB1 2455/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH CHRNA1 3961/4885CHRNG 2658/4885CHRNB1 3169/4885
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 CHRNA1 3898/4885CHRNG 1977/4885CHRNB1 3611/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP CHRNA1 3985/4885CHRNG 2568/4885CHRNB1 3498/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CHRNA1 4121/4885CHRNG 2383/4885CHRNB1 3544/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 CHRNA1 4120/4885CHRNG 2341/4885CHRNB1 3558/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CHRNA1 3525/4885CHRNG 2314/4885CHRNB1 2904/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CHRNA1 3898/4885CHRNG 1977/4885CHRNB1 3611/4885
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH CHRNA1 2465/4885CHRNG 1204/4885CHRNB1 2110/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP CHRNA1 3985/4885CHRNG 2568/4885CHRNB1 3498/4885
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CHRNA1 4121/4885CHRNG 2383/4885CHRNB1 3544/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CHRNA1 4515/4885CHRNG 4394/4885CHRNB1 3893/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH CHRNA1 2465/4885CHRNG 1204/4885CHRNB1 2110/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.